SCHEMBL4420606

SCHEMBL4420606

O=C(O)N(CC(Cl)(Cl)Cl)c1ccccc1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.39
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
GPR88 Q9GZN0 1/20 0.36
BCAT2 O15382 1/20 0.36
LTB4R2 Q9NPC1 3/20 0.35
HNF4A P41235 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
HPGD P15428 1/20 0.33
BCL2L1 Q07817 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PDK1 Q15118 1/20 0.33
CYP2A6 P11509 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2080355 0.74 TSHR (0.41) KMT2AMEN1SMN1; SMN2RXRARXRB
SCHEMBL16050329 0.73 ALDH1A1 (0.46) KMT2AALDH1A1MEN1SMN1; SMN2LTB4R2
SCHEMBL23374991 0.71 KMT2A (0.46) TACR1KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL31393792 0.71 ALDH1A1 (0.48) TACR1KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL1567122 0.70 ALDH1A1 (0.46) TACR1KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL11963730 0.69 ALDH1A1 (0.50) TACR1KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL31393797 0.69 GPR88 (0.37) TACR1KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL5883327 0.68 TACR1 (0.54) TACR1KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL27637324 0.68 BCAT2 (0.47) TACR1KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL16968516 0.68 TACR1 (0.47) TACR1KMT2AALDH1A1MEN1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120289540-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2012-11-15 US disclosed
US-8188113-B2 For example, 1-(5-(2-amino-8-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl)-2-fluorophenyl)-3-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)urea; for treatment of mammalian cancers and inflammatory diseases including rheumatoid arthritis, retinopathies DECIPHERA PHARMACEUTICALS, INC. (US) 2012-05-29 US disclosed
EP-2063897-A2 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Deciphera Pharmaceuticals, LLC. (US) 2009-06-03 EP disclosed
US-20080114006-A1 Kinase inhibitors useful for the treatment of proliferative diseases DECIPHERA PARMACEUTICALS, LLC (US) 2008-05-15 US disclosed
WO-2008034008-A2 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC. (US) 2008-03-20 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120289540-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES BRAF, PRKDC, RAF1 TACR1 3437/4885KMT2A 1762/4885ALDH1A1 1389/4885
US-20080114006-A1 Kinase inhibitors useful for the treatment of proliferative diseases BRAF, PRKDC, RAF1 TACR1 3437/4885KMT2A 1762/4885ALDH1A1 1389/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.